Crystal structure and Hirshfeld surface analysis of dichlorido[2-(3-cyclopentyl-1,2,4-triazol-5-yl-κ<i>N</i> <sup>4</sup>)pyridine-κ<i>N</i>]palladium(II) dimethylformamide monosolvate

This study presents the synthesis, characterization and Hirshfeld surface analysis of the title mononuclear complex, [PdCl<sub>2</sub>(C<sub>12</sub>H<sub>14</sub>N<sub>4</sub>)]·C<sub>3</sub>H<sub>7</sub>NO. The compound crystalizes in the <i>P</i>2<sub>1</sub>/<i>c</i> space group of the monoclinic system. The asymmetric unit contains one neutral complex Pd(H<i>L</i> <sup>c-Pe</sup>)Cl<sub>2</sub> [H<i>L</i> <sup>c-Pe</sup> is 2-(3-cyclo-pentyl-1,2,4-triazol-5-yl)pyridine] and one mol-ecule of DMF as a solvate. The Pd atom has a square-planar coordination. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O and C-H⋯N hydrogen bonds, forming layers parallel to the <i>bc</i> plane. A Hirshfeld surface analysis showed that the H⋯H contacts dominate the crystal packing with a contribution of 41.4%. The contribution of the N⋯H/H⋯N and H⋯O/O⋯H inter-actions is somewhat smaller, amounting to 12.4% and 5%, respectively.

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Journal
Acta Crystallographica Section E Crystallographic Communications
Published
2024-08-16
DOI
https://doi.org/10.1107/s2056989024007801
Primary Topic
Metal complexes synthesis and properties
Type
article
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Crystal structure and Hirshfeld surface analysis of dichlorido[2-(3-cyclopentyl-1,2,4-triazol-5-yl-κN 4)pyridine-κN]palladium(II) dimethylformamide monosolvate

Rostyslav D. Lampeka, Viktoriya V. Dyakonenko, Dmytro M. Khomenko, Roman O. Doroshchuk et al.
Acta Crystallographica Section E Crystallographic Communications
Metal complexes synthesis and properties
article

Crystal structure and Hirshfeld surface analysis of dichlorido[2-(3-cyclopentyl-1,2,4-triazol-5-yl-κN 4)pyridine-κN]palladium(II) dimethylformamide monosolvate

Rostyslav D. Lampeka, Viktoriya V. Dyakonenko, Dmytro M. Khomenko, Roman O. Doroshchuk, Г В Иванова
article en

Abstract

This study presents the synthesis, characterization and Hirshfeld surface analysis of the title mononuclear complex, [PdCl<sub>2</sub>(C<sub>12</sub>H<sub>14</sub>N<sub>4</sub>)]·C<sub>3</sub>H<sub>7</sub>NO. The compound crystalizes in the <i>P</i>2<sub>1</sub>/<i>c</i> space group of the monoclinic system. The asymmetric unit contains one neutral complex Pd(H<i>L</i> <sup>c-Pe</sup>)Cl<sub>2</sub> [H<i>L</i> <sup>c-Pe</sup> is 2-(3-cyclo-pentyl-1,2,4-triazol-5-yl)pyridine] and one mol-ecule of DMF as a solvate. The Pd atom has a square-planar coordination. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O and C-H⋯N hydrogen bonds, forming layers parallel to the <i>bc</i> plane. A Hirshfeld surface analysis showed that the H⋯H contacts dominate the crystal packing with a contribution of 41.4%. The contribution of the N⋯H/H⋯N and H⋯O/O⋯H inter-actions is somewhat smaller, amounting to 12.4% and 5%, respectively.

Acta Crystallographica Section E Crystallographic CommunicationsVol. 80(9)
National Academy of Sciences of Ukraine (UA), Taras Shevchenko National University of Kyiv (UA), Institute of General and Inorganic Chemistry (BG), State Scientific Institution “Institute for Single Crystals” of National Academy of Sciences of Ukraine (UA), Enamine (Ukraine) (UA)
Clean water and sanitation
Openalex Percentile: Top 77%
Metal complexes synthesis and properties
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Crystal structure and Hirshfeld surface analysis of dichlorido[2-(3-cyclopentyl-1,2,4-triazol-5-yl-κ<i>N</i> <sup>4</sup>)pyridine-κ<i>N</i>]palladium(II) dimethylformamide monosolvate — Rostyslav D. Lampeka, Viktoriya V. Dyakonenko, et al. · Acta Crystallographica Section E Crystallographic Communications (2024) | TGRS Research Map | TGRS